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N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID KOsMCj8e5dD
InChI InChI=1S/C30H27N7O2S/c1-20-26(29(39)37(35(20)2)22-13-7-4-8-14-22)31-25(38)19-40-30-32-28-27(33-34-30)23-15-9-10-16-24(23)36(28)18-17-21-11-5-3-6-12-21/h3-16H,17-19H2,1-2H3,(H,31,38)
InChIKey XHPCBNTZWHRVDF-UHFFFAOYSA-N
Mol Weight 549.65 g/mol
Molecular Formula C30H27N7O2S
Exact Mass 549.194694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9TECMvawToK
Name N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H27N7O2S/c1-20-26(29(39)37(35(20)2)22-13-7-4-8-14-22)31-25(38)19-40-30-32-28-27(33-34-30)23-15-9-10-16-24(23)36(28)18-17-21-11-5-3-6-12-21/h3-16H,17-19H2,1-2H3,(H,31,38)
InChIKey XHPCBNTZWHRVDF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1157
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/9015385; Labnumber: KUL-0000031